2-Methyl-3-nitro-benzonitrile.

ABSTRACT: The asymmetric unit of the title compound, C(8)H(6)N(2)O(2), contains two independent mol-ecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3)°. Intra-molecular C-H⋯O hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted conformations. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules. There are π-π contacts between the benzene rings [centroid-centroid distances = 3.752 (3) and 3.874 (3) Å].

SUBMITTER: Han GZ 

PROVIDER: S-EPMC2959969 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature